SCHEMBL772686

SCHEMBL772686

O=C1OC(=O)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 3/20 0.53
CYP1A2 P05177 2/20 0.53
TP53 P04637 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
STAT6 P42226 1/20 0.53
HIF1A Q16665 1/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
HPGD P15428 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11657285 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL6554303 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL21291914 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL11241510 0.81 DTYMK (0.46) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL31167470 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL772678 0.76 CYP3A4 (0.59) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL9068398 0.76 MAOA (0.51) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL31305190 0.76 RECQL (0.43) ALDH1A1MAPTMCL1HTTPOLB
SCHEMBL4440392 0.76 CTSB (0.49) ALDH1A1CYP3A4CYP1A2TP53CYP2D6
SCHEMBL8133813 0.76 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTTSHRS100A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885CYP3A4 1201/4885CYP1A2 1089/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885CYP3A4 1201/4885CYP1A2 1089/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP ALDH1A1 1899/4885CYP3A4 1201/4885CYP1A2 1089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.